Cas no 81280-12-8 (4-Methyl-4-hepten-3-ol)
4-Methyl-4-hepten-3-ol structure
Product Name:4-Methyl-4-hepten-3-ol
4-Methyl-4-hepten-3-ol Chemical and Physical Properties
Names and Identifiers
-
- 4-Methyl-4-hepten-3-ol
- (4E)-4-Methyl-4-hepten-3-ol
- 4-methyl-hept-4-en-3-ol
- SCHEMBL8420600
- (E)-4-methylhept-4-en-3-ol
- MFCD00046670
- (4E)-4-Methyl-4-hepten-3-ol #
- CHEBI:195855
- 4-Hepten-3-ol, 4-methyl-
- CVBRKUMLJLIZGY-VOTSOKGWSA-N
- 4-Methyl-4E-hepten-3-ol
- 87777-45-5
- SCHEMBL4115249
- 81280-12-8
- LMFA05000474
- 4-Methyl-4-hepten-3-ol (ACI)
-
- Inchi： 1S/C8H16O/c1-4-6-7(3)8(9)5-2/h6,8-9H,4-5H2,1-3H3
- InChI Key： CVBRKUMLJLIZGY-UHFFFAOYSA-N
- SMILES： OC(CC)C(C)=CCC
Computed Properties
- Exact Mass: 128.12000
- Monoisotopic Mass: 128.120115
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 94.7
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- XLogP3: 2.4
- Topological Polar Surface Area: 20.2
Experimental Properties
- Color/Form: colorless liquid
- Density: 0.8646 (estimate)
- Melting Point: -31.5°C (estimate)
- Boiling Point: 165°C
- Flash Point: 52°C
- Refractive Index: 1.4359 (estimate)
- PSA: 20.23000
- LogP: 2.11360
- Solubility: Unable or difficult to mix
4-Methyl-4-hepten-3-ol Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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